EuMn4(CuO4)3
高熵材料 HEAMP-ID: mp-641487 · Space group: Im-3 (#204)
Basic Information
Formula
EuMn4(CuO4)3
MP-ID
mp-641487
Elements
4
Sites
20
Density
6.0784
g/cm³
Volume
206.08
ų
Cell a
6.4449
Å
Cell b
6.4449
Å
Cell c
6.4449
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
Im-3
Point Group
m-3
Crystal System
Cubic
Bravais Lattice
cI
Stability
No
Packing Fraction
0.6802
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.85 | 5.2623 | 12.1 | (1,0,0) |
| 23.91 | 3.7210 | 5.4 | (1,1,-1) |
| 29.40 | 3.0382 | 3.8 | (1,1,0) |
| 34.08 | 2.6311 | 100.0 | (2,0,0) |
| 38.24 | 2.3534 | 10.2 | (2,1,-1) |
| 42.06 | 2.1483 | 6.2 | (1,1,1) |
| 45.61 | 1.9890 | 9.8 | (2,1,0) |
| 48.96 | 1.8605 | 24.4 | (2,2,-2) |
| 52.14 | 1.7541 | 1.7 | (3,0,0) |
| 55.20 | 1.6641 | 2.1 | (3,1,-1) |
| 60.99 | 1.5191 | 47.2 | (2,2,0) |
| 63.77 | 1.4595 | 2.9 | (3,1,0) |
| 71.75 | 1.3156 | 11.8 | (4,0,0) |
| 74.32 | 1.2763 | 1.6 | (2,2,1) |
| 76.86 | 1.2403 | 2.7 | (3,1,1) |
| 79.37 | 1.2073 | 2.8 | (3,2,0) |
| 81.86 | 1.1767 | 16.1 | (4,2,-2) |
| 89.27 | 1.0973 | 1.4 | (4,2,-1) |
Energy Properties
Formation Energy/atom
-1.76072
eV/atom
Energy/atom
-7.69119
eV/atom
Energy above Hull
0.0247
eV/atom
Uncorrected Energy
-6.9454
eV/atom
Volume/atom
10.30
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
21.4317
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.104000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0627
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8356
J/mol·K
Ω Parameter
10.9585
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
42.840%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8951
smaller = more stable mixing
VEC
5.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.480
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7666
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-641487
Reference Citation
The crystal structure and related material properties of EuMn4(CuO4)3 were obtained from the Materials Project database (MP-ID: mp-641487, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_EuMn4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44493507
_cell_length_b 6.44493507
_cell_length_c 6.44493507
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuMn4(CuO4)3
_chemical_formula_sum 'Eu1 Mn4 Cu3 O12'
_cell_volume 206.07900520
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Eu Eu0 1 0.00000000 0.00000000 0.00000000 1.0
Mn Mn1 1 0.00000000 0.50000000 0.00000000 1.0
Mn Mn2 1 0.00000000 0.00000000 0.50000000 1.0
Mn Mn3 1 0.50000000 0.50000000 0.50000000 1.0
Mn Mn4 1 0.50000000 0.00000000 0.00000000 1.0
Cu Cu5 1 0.00000000 0.50000000 0.50000000 1.0
Cu Cu6 1 0.50000000 0.00000000 0.50000000 1.0
Cu Cu7 1 0.50000000 0.50000000 0.00000000 1.0
O O8 1 0.69190600 0.86303400 0.17112800 1.0
O O9 1 0.30809400 0.13696600 0.82887200 1.0
O O10 1 0.17112800 0.30809400 0.47922200 1.0
O O11 1 0.17112800 0.69190600 0.86303400 1.0
O O12 1 0.69190600 0.52077800 0.82887200 1.0
O O13 1 0.30809400 0.47922200 0.17112800 1.0
O O14 1 0.47922200 0.17112800 0.30809400 1.0
O O15 1 0.82887200 0.69190600 0.52077800 1.0
O O16 1 0.86303400 0.17112800 0.69190600 1.0
O O17 1 0.82887200 0.30809400 0.13696600 1.0
O O18 1 0.52077800 0.82887200 0.69190600 1.0
O O19 1 0.13696600 0.82887200 0.30809400 1.0
